input word = C00045840

Metabolite InformationStructural formula
Name Dichlorolissoclimide
Formula C20H29Cl2NO4
Mw 417.14736384
CAS RN 138935-82-7
C_ID C00045840 ,
InChIKey RXKVVHDLUDIYSP-YDROXJCTNA-N
InChICode InChI=1S/C20H29Cl2NO4/c1-9-11(6-14(25)10-5-16(26)23-18(10)27)20(4)8-12(21)17(22)19(2,3)15(20)7-13(9)24/h10-15,17,24-25H,1,5-8H2,2-4H3,(H,23,26,27)/t10-,11+,12-,13+,14+,15+,17+,20+/m1/s1
SMILES C1(=C)[C@H](C[C@@H]2[C@]([C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O)(C[C@H]([C@@H](C2(C)C)Cl)Cl)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeLissoclinum sp. Ref.
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OrganismLissoclinum sp.
ReferenceUddin,J.Nat.Prod.,64,(2001),1169